SCHEMBL10695521

SCHEMBL10695521

CC1C(=O)N(C)c2cc3nc(-c4cccnc4)n(C)c3cc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.53
CYP11B1 P15538 6/20 0.53
KIT P10721 7/20 0.43
NAMPT P43490 1/20 0.41
ATM Q13315 1/20 0.41
DHFR P00374 1/20 0.39
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
PTGS2 P35354 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10698855 0.87 CYP11B1 (0.49) CYP11B2CYP11B1KITNAMPTATM
SCHEMBL10696064 0.86 MEN1 (0.47) CYP11B2CYP11B1KITNAMPTATM
SCHEMBL10697886 0.86 CYP11B1 (0.47) CYP11B2CYP11B1KITNAMPTATM
SCHEMBL10699164 0.85 CYP11B1 (0.47) CYP11B2CYP11B1KITNAMPTATM
SCHEMBL10695550 0.81 MEN1 (0.47) CYP11B2CYP11B1KITNAMPTATM
SCHEMBL10699903 0.81 CYP11B1 (0.47) CYP11B2CYP11B1KITNAMPTATM
SCHEMBL10694340 0.79 CA12 (0.50) DHFRHTT
SCHEMBL10695097 0.79 PARP1 (0.40) DHFR
SCHEMBL10697238 0.76 CYP11B1 (0.54) CYP11B2CYP11B1KITNAMPTATM
SCHEMBL10694972 0.76 MEN1 (0.40) HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed